CID 20903

4771-80-6

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1CC(CC=C1)C(=O)O

InChI

InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)

InChIKey

VUSWCWPCANWBFG-UHFFFAOYSA-N

Compound name

cyclohex-3-ene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 3384
Patents: 126.06808 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.07536	124.4
[M+Na]+	149.05730	130.2
[M-H]-	125.06080	126.3
[M+NH4]+	144.10190	145.6
[M+K]+	165.03124	129.3
[M+H-H2O]+	109.06534	119.5
[M+HCOO]-	171.06628	144.9
[M+CH3COO]-	185.08193	167.3
[M+Na-2H]-	147.04275	130.0
[M]+	126.06753	120.4
[M]-	126.06863	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe